N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide

C15H15N3O3S — CID 110759653

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C15H15N3O3S/c1-18(9-6-12-4-7-16-8-5-12)22(19,20)13-2-3-14-15(10-13)21-11-17-14/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyHAWJGSNITGJTIS-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide

N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759653) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759653
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1
InChIInChI=1S/C15H15N3O3S/c1-18(9-6-12-4-7-16-8-5-12)22(19,20)13-2-3-14-15(10-13)21-11-17-14/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyHAWJGSNITGJTIS-UHFFFAOYSA-N
XLogP2.09
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759654
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
4-acetyl-N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110648531
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
N-(furan-2-ylmethyl)-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109060496
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109059028
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide (CID 110759653) is N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide is CN(CCc1ccncc1)S(=O)(=O)c1ccc2ncoc2c1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HAWJGSNITGJTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-18(9-6-12-4-7-16-8-5-12)22(19,20)13-2-3-14-15(10-13)21-11-17-14/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide?
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).